Mrv1533004251504352D 14 14 0 0 0 0 999 V2000 0.8889 2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 4 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0151962 > NP-MRD > CC1CC(O)C=CC(O)CCC(=O)O1 > InChI=1S/C10H16O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-3,7-9,11-12H,4-6H2,1H3 > DKWZZACTRIWLJJ-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.734898870556925 > 1 > 2 > 0 > 1 > 5,8-dihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one > 0.17 > -0.10736814133333358 > -0.44 > 0 > 1 > 0 > 15.154872506381963 > 14.534972295326781 > -2.8560817316115354 > 66.76 > 51.83590000000001 > 0 > 1 > 7.30e+01 g/l > stagonolide C > 0 > NP0151962 > 5,8-dihydroxy-10-methyl-3,4,5,8,9,10-hexahydrooxecin-2-one $$$$